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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urea transporter 1' and Ligand = 'BDBM50435306'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Urea transporter 1


(Mus musculus)		BDBM50435306
PNG
(CHEMBL2391348)
Show SMILES CC(F)(F)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCC3CC3)nc12
Show InChI InChI=1S/C19H17F2N5O2S2/c1-19(20,21)12-4-6-13(7-5-12)30(27,28)18-17-23-16(22-10-11-2-3-11)15-14(8-9-29-15)26(17)25-24-18/h4-9,11H,2-3,10H2,1H3,(H,22,23)
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Article
PubMed
n/an/a>800n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis

Bioorg Med Chem Lett 23: 3338-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.089
BindingDB Entry DOI: 10.7270/Q2CR5VRQ
More data for this
Ligand-Target Pair